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9PA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2O1sing1.35Å1.26Å
O1HO1sing0.97Å0.95Å
C4C2sing1.47Å1.49Å
C2O3doub1.21Å1.26Å
C5C4doub1.40Å1.38ÅAromatic
C12C4sing1.40Å1.39ÅAromatic
C9C5sing1.39Å1.36ÅAromatic
C5O6sing1.36Å1.37Å
C7O6sing1.44Å1.43Å
O8C7sing1.44Å1.43Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
O8C9sing1.37Å1.37Å
C10C9doub1.38Å1.37ÅAromatic
C10C11sing1.39Å1.38ÅAromatic
C10H10sing1.08Å1.08Å
C11C12doub1.38Å1.39ÅAromatic
C11H11sing1.08Å1.08Å
C12C13sing1.51Å1.50Å
C14C13sing1.53Å1.51Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15C14sing1.53Å1.52Å
C14C24sing1.53Å1.52Å
C14H14sing1.09Å1.10Å
C15N16sing1.47Å1.45Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
N16C17sing1.35Å1.38Å
N16HN16sing0.97Å1.00Å
O18C17doub1.21Å1.22Å
C17C19sing1.51Å1.50Å
C19C20sing1.53Å1.51Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20C21sing1.53Å1.51Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21C22sing1.53Å1.51Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22N23sing1.47Å1.49Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
N23HN23sing1.01Å1.00Å
N23HN2Asing1.01Å1.00Å
C24C25sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26C25sing1.53Å1.52Å
C25C27sing1.53Å1.52Å
C25H25sing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2O1HO1109.5°117.0°
O1C2C4117.9°120.0°
O1C2O3124.6°120.0°
C4C2O3117.4°120.0°
C2C4C5118.1°120.2°
C2C4C12125.0°120.1°
C5C4C12116.9°119.7°
C4C5C9122.7°119.7°
C4C5O6126.0°131.6°
C4C12C11120.1°120.0°
C4C12C13122.3°120.0°
C9C5O6111.3°108.8°
C5C9O8112.4°108.6°
C5C9C10121.2°119.9°
C5O6C799.3°105.5°
O6C7O8112.6°103.7°
O6C7H7108.7°110.5°
O6C7H7A108.7°110.6°
O8C7H7108.7°110.5°
O8C7H7A108.7°110.7°
C7O8C998.7°105.5°
H7C7H7A109.5°110.5°
O8C9C10126.4°131.5°
C9C10C11117.1°120.4°
C9C10H10121.5°119.8°
C11C10H10121.4°119.8°
C10C11C12122.0°120.3°
C10C11H11119.0°119.8°
C12C11H11119.0°119.8°
C11C12C13117.6°120.0°
C12C13C14116.0°109.5°
C12C13H13107.8°109.5°
C12C13H13A107.8°109.4°
C14C13H13107.8°109.5°
C14C13H13A107.8°109.5°
C13C14C15110.7°109.5°
C13C14C24109.7°109.5°
C13C14H14109.2°109.5°
H13C13H13A109.5°109.4°
C15C14C24108.8°109.5°
C15C14H14109.2°109.5°
C14C15N16112.5°109.5°
C14C15H15108.7°109.5°
C14C15H15A108.7°109.5°
C24C14H14109.1°109.4°
C14C24C25115.1°109.5°
C14C24H24108.0°109.5°
C14C24H24A108.0°109.5°
N16C15H15108.7°109.5°
N16C15H15A108.7°109.4°
C15N16C17120.0°120.0°
C15N16HN16120.0°120.0°
H15C15H15A109.5°109.5°
C17N16HN16120.0°120.0°
N16C17O18125.0°120.0°
N16C17C19112.9°120.0°
O18C17C19122.1°120.0°
C17C19C20109.2°109.4°
C17C19H19109.5°109.5°
C17C19H19A109.5°109.5°
C20C19H19109.6°109.5°
C20C19H19A109.6°109.5°
C19C20C21108.9°109.4°
C19C20H20109.6°109.5°
C19C20H20A109.6°109.5°
H19C19H19A109.4°109.4°
C21C20H20109.6°109.5°
C21C20H20A109.6°109.4°
C20C21C22109.5°109.5°
C20C21H21109.5°109.5°
C20C21H21A109.5°109.4°
H20C20H20A109.4°109.5°
C22C21H21109.4°109.5°
C22C21H21A109.4°109.5°
C21C22N23108.8°109.5°
C21C22H22109.6°109.5°
C21C22H22A109.6°109.4°
H21C21H21A109.5°109.5°
N23C22H22109.7°109.5°
N23C22H22A109.6°109.5°
C22N23HN23109.5°111.0°
C22N23HN2A109.4°111.0°
H22C22H22A109.4°109.5°
HN23N23HN2A109.4°111.0°
C25C24H24108.0°109.5°
C25C24H24A108.0°109.5°
C24C25C26111.9°109.5°
C24C25C27108.8°109.5°
C24C25H25108.7°109.4°
H24C24H24A109.5°109.5°
C26C25C27109.9°109.5°
C26C25H25108.7°109.5°
C25C26H26109.5°109.4°
C25C26H26A109.5°109.4°
C25C26H26B109.4°109.5°
C27C25H25108.8°109.5°
C25C27H27109.5°109.5°
C25C27H27A109.5°109.5°
C25C27H27B109.5°109.5°
H26C26H26A109.5°109.5°
H26C26H26B109.5°109.5°
H26AC26H26B109.5°109.5°
H27C27H27A109.5°109.5°
H27C27H27B109.4°109.5°
H27AC27H27B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C4O3178.3°179.9°
O1C2C4C5130.6°94.9°
O1C2C4C1249.0°84.8°
HO1O1C2C4178.1°180.0°
HO1O1C2O30.0°0.1°
C2C4C5C12179.6°179.7°
C2C4C5C9179.7°180.0°
C2C4C5O60.5°0.0°
C2C4C12C11179.6°179.6°
C2C4C12C131.4°0.3°
O3C2C4C547.7°85.0°
O3C2C4C12132.7°95.3°
C4C5C9O6179.3°180.0°
C4C5O6C7165.5°162.8°
C4C5C9O8179.4°180.0°
C4C5C9C100.3°0.0°
C5C4C12C110.7°0.6°
C5C4C12C13179.0°179.9°
C12C4C5C90.6°0.3°
C12C4C5O6179.8°179.7°
C4C12C11C100.6°0.7°
C4C12C11C13178.3°179.3°
C4C12C11H11179.4°179.7°
C4C12C13C14129.0°85.2°
C4C12C13H138.0°154.8°
C4C12C13H13A110.1°34.9°
C9C5O6C713.8°17.2°
C5C9O8C714.0°17.2°
C5C9O8C10179.8°180.0°
C5C9C10C110.1°0.1°
C5C9C10H10179.9°180.0°
C5O6C7O823.7°27.0°
C5O6C7H796.8°91.5°
C5O6C7H7A144.2°145.8°
O6C5C9O80.1°0.0°
O6C5C9C10179.7°180.0°
O6C7O8H7120.5°118.5°
O6C7O8H7A120.5°118.7°
O6C7H7H7A118.6°122.8°
O6C7O8C923.6°27.0°
O8C7H7H7A118.6°122.9°
C7O8C9C10165.8°162.7°
H7C7O8C996.9°91.5°
H7AC7O8C9144.1°145.7°
O8C9C10C11179.6°179.9°
O8C9C10H100.4°0.0°
C9C10C11H10180.0°179.9°
C9C10C11C120.3°0.4°
C9C10C11H11179.7°180.0°
C10C11C12H11180.0°179.6°
C10C11C12C13178.9°180.0°
H10C10C11C12179.7°179.7°
H10C10C11H110.3°0.1°
C11C12C13C1452.8°94.1°
C11C12C13H13173.7°25.9°
C11C12C13H13A68.2°145.9°
H11C11C12C131.1°0.4°
C12C13C14H13120.9°120.0°
C12C13C14H13A120.9°120.0°
C12C13H13H13A117.0°119.9°
C12C13C14C1564.7°65.6°
C12C13C14C24175.1°174.4°
C12C13C14H1455.5°54.5°
C14C13H13H13A117.0°120.0°
C13C14C15C24120.7°120.0°
C13C14C15H14120.3°120.0°
C13C14C24H14119.6°120.0°
C13C14C15N1652.7°170.7°
C13C14C15H15173.2°50.7°
C13C14C15H15A67.7°69.3°
C13C14C24C2559.6°172.9°
C13C14C24H24179.6°67.1°
C13C14C24H24A61.3°52.9°
H13C13C14C1556.2°54.4°
H13C13C14C2464.0°65.6°
H13C13C14H14176.5°174.5°
H13AC13C14C15174.3°174.4°
H13AC13C14C2454.2°54.4°
H13AC13C14H1465.4°65.6°
C15C14C24H14119.0°120.0°
C14C15N16H15120.4°120.0°
C14C15N16H15A120.4°120.0°
C14C15H15H15A118.6°120.1°
C14C15N16C17117.2°172.5°
C14C15N16HN1662.9°7.5°
C15C14C24C25179.1°67.1°
C15C14C24H2458.3°52.9°
C15C14C24H24A60.1°172.9°
C24C14C15N1668.0°69.3°
C24C14C15H1552.5°170.8°
C24C14C15H15A171.6°50.7°
C14C24C25H24120.8°120.0°
C14C24C25H24A120.8°120.0°
C14C24H24H24A117.4°120.0°
C14C24C25C2654.0°177.6°
C14C24C25C27175.7°62.4°
C14C24C25H2566.1°57.6°
H14C14C15N16173.0°50.7°
H14C14C15H1566.6°69.3°
H14C14C15H15A52.6°170.7°
H14C14C24C2560.1°52.9°
H14C14C24H2460.7°172.9°
H14C14C24H24A179.1°67.1°
N16C15H15H15A118.6°120.0°
C15N16C17HN16180.0°180.0°
C15N16C17O181.7°0.0°
C15N16C17C19177.5°180.0°
H15C15N16C173.3°67.5°
H15C15N16HN16176.7°112.5°
H15AC15N16C17122.4°52.5°
H15AC15N16HN1657.6°127.5°
N16C17O18C19179.1°180.0°
N16C17C19C20114.5°180.0°
N16C17C19H19125.5°60.0°
N16C17C19H19A5.4°59.9°
HN16N16C17O18178.3°180.0°
HN16N16C17C192.5°0.0°
O18C17C19C2066.2°0.0°
O18C17C19H1953.8°120.0°
O18C17C19H19A173.8°120.1°
C17C19C20H19120.0°120.0°
C17C19C20H19A120.0°120.0°
C17C19H19H19A120.1°120.0°
C17C19C20C21166.0°179.9°
C17C19C20H2046.0°60.1°
C17C19C20H20A74.1°60.0°
C20C19H19H19A120.1°120.1°
C19C20C21H20119.9°120.0°
C19C20C21H20A119.9°120.0°
C19C20H20H20A120.3°120.1°
C19C20C21C22156.8°179.9°
C19C20C21H2136.8°60.0°
C19C20C21H21A83.2°60.0°
H19C19C20C2174.1°60.0°
H19C19C20H20166.0°180.0°
H19C19C20H20A45.9°59.9°
H19AC19C20C2146.0°60.0°
H19AC19C20H2073.9°60.0°
H19AC19C20H20A165.9°179.9°
C21C20H20H20A120.2°120.0°
C20C21C22H21120.0°120.0°
C20C21C22H21A120.0°119.9°
C20C21H21H21A120.0°120.0°
C20C21C22N23179.5°180.0°
C20C21C22H2259.5°59.9°
C20C21C22H22A60.6°60.0°
H20C20C21C2283.3°59.9°
H20C20C21H21156.7°180.0°
H20C20C21H21A36.7°60.0°
H20AC20C21C2236.8°60.1°
H20AC20C21H2183.2°60.0°
H20AC20C21H21A156.8°180.0°
C22C21H21H21A119.9°120.0°
C21C22N23H22119.9°120.0°
C21C22N23H22A119.9°120.0°
C21C22H22H22A120.3°119.9°
C21C22N23HN23180.0°56.1°
C21C22N23HN2A60.0°180.0°
H21C21C22N2360.5°60.0°
H21C21C22H22179.5°180.0°
H21C21C22H22A59.4°60.0°
H21AC21C22N2359.4°60.0°
H21AC21C22H2260.5°60.0°
H21AC21C22H22A179.3°180.0°
N23C22H22H22A120.3°120.0°
C22N23HN23HN2A120.0°124.0°
H22C22N23HN2360.1°63.9°
H22C22N23HN2A179.9°60.0°
H22AC22N23HN2360.1°176.0°
H22AC22N23HN2A59.9°60.0°
C25C24H24H24A117.4°120.0°
C24C25C26C27121.0°120.0°
C24C25C26H25120.1°119.9°
C24C25C27H25118.2°119.9°
C24C25C26H26180.0°65.0°
C24C25C26H26A60.0°175.0°
C24C25C26H26B60.0°55.0°
C24C25C27H27180.0°174.8°
C24C25C27H27A60.0°54.7°
C24C25C27H27B60.0°65.2°
H24C24C25C2666.8°57.5°
H24C24C25C2754.9°177.6°
H24C24C25H25173.1°62.5°
H24AC24C25C26174.8°62.5°
H24AC24C25C2763.5°57.6°
H24AC24C25H2554.7°177.6°
C26C25C27H25119.0°120.1°
C25C26H26H26A120.0°119.9°
C25C26H26H26B120.0°120.0°
C25C26H26AH26B120.0°120.0°
C26C25C27H2757.2°54.7°
C26C25C27H27A62.9°65.3°
C26C25C27H27B177.2°174.8°
C27C25C26H2659.0°55.0°
C27C25C26H26A179.0°64.9°
C27C25C26H26B61.0°175.0°
C25C27H27H27A120.0°120.0°
C25C27H27H27B120.0°120.0°
C25C27H27AH27B120.0°120.0°
H25C25C26H2660.0°175.0°
H25C25C26H26A60.0°55.1°
H25C25C26H26B179.9°64.9°
H25C25C27H2761.8°65.3°
H25C25C27H27A178.2°174.6°
H25C25C27H27B58.2°54.7°
H26C26H26AH26B120.0°120.1°
H27C27H27AH27B119.9°120.0°

248335

PDB entries from 2026-01-28

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